2-amino-N-(2-methoxyethyl)acetamide hydrochloride

• ChemBase ID: 49514
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(=O)(NCCOC)CN.Cl
• Canonical SMILES: COCCNC(=O)CN.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c1-9-3-2-7-5(8)4-6;/h2-4,6H2,1H3,(H,7,8);1H
• InChIKey: SMNDWCIPGZFGMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-methoxyethyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2-methoxyethyl)acetamide hydrochloride
• Synonyms: 2-Amino-N-(2-methoxyethyl)acetamide hydrochloride

Database IDs

• CAS Number: 1220037-70-6
• MDL Number: MFCD08060118
• PubChem SID: 162054277
• PubChem CID: 53409061

CALCULATED PROPERTIES

• Acid pKa: 15.657386
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2707367
• LogD (pH = 7.4): -2.5875702
• Log P: -1.7777176
• Molar Refractivity: 33.7658 cm^3
• Polarizability: 13.404116 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): -1.169

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%